| SpectraBase Spectrum ID |
3psWU12CYRw |
| Name |
Methyl octanoate |
| CAS Registry Number |
111-11-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H18O2 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness) |
| GC Oven Program |
60 ??C to 246 ??C at 3 ??C/min. |
| InChI |
InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3 |
| InChIKey |
JGHZJRVDZXSNKQ-UHFFFAOYSA-N |
| Molecular Weight |
158.241 g/mol |
| SMILES |
COC(CCCCCCC)=O |
| SPLASH |
splash10-05fu-9000000000-5a9b50c321550f9ad1b8 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
1887655 |
